2-(2-carboxyethylsulfanylmethyl)-2-dodecyl-icosanoic acid

Systemtic Name: 2-(2-carboxyethylsulfanylmethyl)-2-dodecyl-icosanoic acid Openeye Name: 2-(2-carboxyethylsulfanylmethyl)-2-dodecyl-icosanoic acid CAS Name: 2-[(2-carboxyethylthio)methyl]-2-dodecyleicosanoic acid IUPAC Name: 2-(2-carboxyethylsulfanylmethyl)-2-dodecylicosanoic acid Traditional Name: 2-[(2-carboxyethylthio)methyl]-2-lauryl-arachidic acid Formula: C36H70O4S MolecularWeight: 599.0036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCC)(CSCCC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCC)(CSCCC(=O)O)C(=O)O

InChI

InChI=1S/C36H70O4S/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-31-36(35(39)40,33-41-32-29-34(37)38)30-27-25-23-21-14-12-10-8-6-4-2/h3-33H2,1-2H3,(H,37,38)(H,39,40)